SCHEMBL29690519

SCHEMBL29690519

CC(O)Cc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2T Q9NPD8 1/20 0.56
▸ ASIC3 Q9UHC3 1/20 0.56
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ HPGD P15428 5/20 0.52
▸ MAPT P10636 7/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ HTT P42858 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12213527 1.00 UBE2T (0.56) UBE2TASIC3LOXL2CYP1A2CYP2C19
SCHEMBL30036322 0.87 UBE2T (0.53) UBE2TASIC3LOXL2CYP1A2CYP2C19
SCHEMBL2662248 0.86 UBE2T (0.59) UBE2TASIC3LOXL2CYP1A2CYP2C19
SCHEMBL29690521 0.83 UBE2T (0.53) UBE2TASIC3LOXL2CYP1A2CYP2C19
SCHEMBL24123041 0.83 UBE2T (0.56) UBE2TASIC3LOXL2CYP1A2CYP2C19
SCHEMBL14478204 0.83 UBE2T (0.61) UBE2TASIC3LOXL2CYP1A2CYP2C19
SCHEMBL14478202 0.83 UBE2T (0.61) UBE2TASIC3LOXL2CYP1A2CYP2C19
SCHEMBL4849217 0.81 UBE2T (0.50) UBE2TASIC3LOXL2CYP1A2CYP2C19
SCHEMBL29278085 0.81 CYP1A2 (0.51) UBE2TASIC3LOXL2CYP1A2CYP2C19
SCHEMBL19987767 0.81 HPGD (0.61) UBE2TASIC3CYP1A2CYP2C19HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605349-A Method for synthesizing photocatalytic alkyl-substituted benzothiazole derivative 浙江工业大学 2022-06-10 — — CN disclosed
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